SCHEMBL5407779

SCHEMBL5407779

O=c1[nH]c2c(ccc3ccccc32)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 1.00
OGT O15294 1/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.43
CFD P00746 1/20 0.43
KIF11 P52732 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
PAX8 Q06710 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
FYN P06241 1/20 0.41
MAPK3 P27361 1/20 0.41
AHR P35869 1/20 0.41
HSD17B10 Q99714 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31544616 1.00 MCL1 (1.00) MCL1OGTKDM4EALDH1A1HPGD
SCHEMBL2098564 0.80 MCL1 (0.67) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL9385967 0.78 MCL1 (0.64) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL9358988 0.75 MCL1 (0.59) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL4629613 0.70 MCL1 (0.54) MCL1OGTKDM4EALDH1A1HPGD
SCHEMBL18263654 0.70 MCL1 (0.54) MCL1OGTKDM4ESMN1; SMN2F2
SCHEMBL11162537 0.69 MCL1 (0.53) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL23530348 0.68 KIF11 (0.59) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL237720 0.68 CA12 (0.57) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL7912365 0.68 ABCG2 (0.60) MCL1KDM4EALDH1A1HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US claimed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US claimed
CN-110526912-B Heteroaryl compounds for kinase inhibition 武田药品工业株式会社 2023-02-14 CN disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR MCL1 4701/4885OGT 1921/4885KDM4E 4090/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.